(5S)-2-phenyl-3-(phenylmethyl)-5-(pyridin-1-ium-2-ylamino)-5-(trifluoromethyl)-1H-imidazol-3-ium-4-one

Systemtic Name: (5S)-2-phenyl-3-(phenylmethyl)-5-(pyridin-1-ium-2-ylamino)-5-(trifluoromethyl)-1H-imidazol-3-ium-4-one Openeye Name: (5S)-3-benzyl-2-phenyl-5-(pyridin-1-ium-2-ylamino)-5-(trifluoromethyl)-1H-imidazol-3-ium-4-one CAS Name: (5S)-2-phenyl-3-(phenylmethyl)-5-(2-pyridin-1-iumylamino)-5-(trifluoromethyl)-1H-imidazol-3-ium-4-one IUPAC Name: (5S)-3-benzyl-2-phenyl-5-(pyridin-1-ium-2-ylamino)-5-(trifluoromethyl)-1H-imidazol-3-ium-4-one Traditional Name: (5S)-3-benzyl-2-phenyl-5-(pyridin-1-ium-2-ylamino)-5-(trifluoromethyl)-2-imidazolin-3-ium-4-one Formula: C22H19F3N4O+2 MolecularWeight: 412.40767

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC(C2=O)(C(F)(F)F)NC3=CC=CC=[NH+]3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N[C@@](C2=O)(C(F)(F)F)NC3=CC=CC=[NH+]3)C4=CC=CC=C4

InChI

InChI=1S/C22H17F3N4O/c23-22(24,25)21(27-18-13-7-8-14-26-18)20(30)29(15-16-9-3-1-4-10-16)19(28-21)17-11-5-2-6-12-17/h1-14H,15H2,(H,26,27)/p+2/t21-/m0/s1